N-[(4-methoxyphenyl)carbamothioyl]-5-(2-phenylethynyl)pyridine-3-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)carbamothioyl]-5-(2-phenylethynyl)pyridine-3-carboxamide Openeye Name: N-[(4-methoxyphenyl)carbamothioyl]-5-(2-phenylethynyl)pyridine-3-carboxamide CAS Name: N-[(4-methoxyanilino)-sulfanylidenemethyl]-5-(2-phenylethynyl)-3-pyridinecarboxamide IUPAC Name: N-[(4-methoxyphenyl)carbamothioyl]-5-(2-phenylethynyl)pyridine-3-carboxamide Traditional Name: N-[(4-methoxyphenyl)thiocarbamoyl]-5-(2-phenylethynyl)nicotinamide Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CN=CC(=C2)C#CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CN=CC(=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C22H17N3O2S/c1-27-20-11-9-19(10-12-20)24-22(28)25-21(26)18-13-17(14-23-15-18)8-7-16-5-3-2-4-6-16/h2-6,9-15H,1H3,(H2,24,25,26,28)